AG003SFB

85363-04-8 | 2-(Boc-amino)acetonitrile

AG003SFB

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CAS Number	85363-04-8
Catalog Number	AG003SFB(AGN-PC-0JSO0N)
Chemical Name	2-(Boc-amino)acetonitrile
IUPAC Name	tert-butyl N-(cyanomethyl)carbamate
InChI	InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
InChI Key	SMZKPZXYDDZDJG-UHFFFAOYSA-N
MDL Number	MFCD00239390
Molecular Formula	C7H12N2O2
Molecular Weight	156.1824
SMILES	O(C(=O)NCC#N)C(C)(C)C
Synonyms	85363-04-8, N-(tert-Butoxycarbonyl)-2-aminoacetonitrile, 2-(Boc-amino)acetonitrile, N-Boc-aminoacetonitrile, tert-butyl N-(cyanomethyl)carbamate, tert-Butyl cyanomethylcarbamate, Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester, SMZKPZXYDDZDJG-UHFFFAOYSA-N, Boc-Gly-Nitrile, zlchem 1061, AC1LC0TX, SCHEMBL362933, KS-00000EBU, DTXSID50337999, tert-Butyl (cyanomethyl)carbamate, tert-Butyl cyanomethylcarbamate #, ZLD0527, ALBB-018600, ZINC2561341, KM2316, MFCD00239390, N1N445, (tert-butoxycarbonylamino)acetonitrile, AKOS000280578, CB-1086, CS-W005639, MCULE-3263866569, TRA0088109, 2-(tert-Butoxycarbonylamino)acetonitrile, 1,1-dimethylethyl (cyanomethyl)carbamate, AJ-40704, AK-47421, AN-35699, AS-11265, BC658620, BR-47421, CJ-09587, SC-16818, SY019810, N-tert-butoxycarbonyl)-2-aminoacetonitrile, 2-Methyl-2-propanyl (cyanomethyl)carbamate, AB0009562, TC-306849, AM20110225, FT-0642001, ST24031350, MFCD00239390 (97+%), N-(cyano-methyl)-carbamic acid tert-butyl ester, N-(tert-Butoxycarbonyl)-2-aminoacetonitrile, 97%, Z1863617845, Carbamic acid, N-(cyanomethyl)-, 1,1-dimethylethyl ester, Boc-2-Aminoacetonitrile, C7H12N2O2, CID545844, carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester (9ci), 721960-43-6,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.09g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.185g/mol
Monoisotopic Mass	156.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

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